2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole

C14H16ClN3OS — CID 9170840

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESClc1cccc(CSc2nnc(C3CCNCC3)o2)c1
InChIInChI=1S/C14H16ClN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2
InChIKeyIAELPPLQDAJUTR-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.48
Rot. Bonds4

About 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole

2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 9170840) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole
PubChem CID9170840
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESClc1cccc(CSc2nnc(C3CCNCC3)o2)c1
InChIInChI=1S/C14H16ClN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2
InChIKeyIAELPPLQDAJUTR-UHFFFAOYSA-N
XLogP3.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole (CID 9170840) is 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole is Clc1cccc(CSc2nnc(C3CCNCC3)o2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The InChIKey is IAELPPLQDAJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 309.82 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 9170840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).